MassBank Record: MSBNK-EPA-ENTACT_AGILENT002038
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002038
RECORD_TITLE: 4-Vinylpyridine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: 4-Vinylpyridine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7N
CH$EXACT_MASS: 105.0578492307
CH$SMILES: C=CC1C=CN=CC=1
CH$IUPAC: InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
CH$LINK: CAS
100-43-6
CH$LINK: INCHIKEY
KFDVPJUYSDEJTH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7502
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 106.0651256824
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0udi-9000000000-17826ce036866469ba24
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
39.022927 1.827222 18
49.007276 1.006005 10
50.015101 2.872783 28
51.022927 100.000003 999
52.030752 23.474603 234
53.038577 17.130609 171
54.033826 1.926681 19
67.041651 2.688188 26
77.038577 44.973048 449
78.033826 9.431887 94
79.041651 17.933121 179
80.049476 17.114584 170
89.038577 1.358118 13
104.049476 2.00474 20
106.065126 2.345696 23
//